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Paulius Mikulskis

Paulius Mikulskis

AstraZeneca, Sweden - Södertälje / Sweden
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4402918
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person_outline Paulius Mikulskis's MOST POPULAR ARTICLES
1-) The normal-mode entropy in the MM/GBSA method: effect of system truncation, buffer region, and dielectric constant Journal of chemical information and modeling 52 (8), 2079-2088, 2012
2-) Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies Journal of computer-aided molecular design 28 (4), 375-400, 2014
3-) A large-scale test of free-energy simulation estimates of protein–ligand binding affinities Journal of chemical information and modeling 54 (10), 2794-2806, 2014
4-) Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration Journal of the American Chemical Society 133 (33), 13081-13092, 2011
5-) Prediction of broad-spectrum pathogen attachment to coating materials for biomedical devices ACS applied materials & interfaces 10 (1), 139-149, 2018